8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

C57H47N3 — CID 59747301

IUPAC8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2cc(-c3ccc4c(n3)-c3ccccc3C4(C)C)ccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc6c(c5)-c5ncccc5C6(C)C)ccc3C4(C)C)cc21
InChIInChI=1S/C57H47N3/c1-54(2)41-13-10-9-12-38(41)52-45(54)23-25-49(59-52)34-15-19-36-37-20-16-35(31-48(37)57(7,8)47(36)30-34)50-26-24-46-53(60-50)40-29-33(18-22-43(40)56(46,5)6)32-17-21-42-39(28-32)51-44(55(42,3)4)14-11-27-58-51/h9-31H,1-8H3
InChIKeyWDZXGLMHRXMZKJ-UHFFFAOYSA-N
MW774.02 g/mol
LogP14.10
Rot. Bonds3

About 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747301) has the molecular formula C57H47N3 and a molecular weight of 774.02 g/mol. Its IUPAC name is 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747301
Molecular FormulaC57H47N3
Molecular Weight774.02 g/mol
Exact Mass773.38
IUPAC Name8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2cc(-c3ccc4c(n3)-c3ccccc3C4(C)C)ccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc6c(c5)-c5ncccc5C6(C)C)ccc3C4(C)C)cc21
InChIInChI=1S/C57H47N3/c1-54(2)41-13-10-9-12-38(41)52-45(54)23-25-49(59-52)34-15-19-36-37-20-16-35(31-48(37)57(7,8)47(36)30-34)50-26-24-46-53(60-50)40-29-33(18-22-43(40)56(46,5)6)32-17-21-42-39(28-32)51-44(55(42,3)4)14-11-27-58-51/h9-31H,1-8H3
InChIKeyWDZXGLMHRXMZKJ-UHFFFAOYSA-N
XLogP14.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.02
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59747301) is 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2cc(-c3ccc4c(n3)-c3ccccc3C4(C)C)ccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc6c(c5)-c5ncccc5C6(C)C)ccc3C4(C)C)cc21.
What is the InChIKey of 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is WDZXGLMHRXMZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N3/c1-54(2)41-13-10-9-12-38(41)52-45(54)23-25-49(59-52)34-15-19-36-37-20-16-35(31-48(37)57(7,8)47(36)30-34)50-26-24-46-53(60-50)40-29-33(18-22-43(40)56(46,5)6)32-17-21-42-39(28-32)51-44(55(42,3)4)14-11-27-58-51/h9-31H,1-8H3.
What are the key properties of 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 774.02 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-9,9-dimethylfluoren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).